SCHEMBL5871620

SCHEMBL5871620

O=C(Cc1ccc2c(OC(=O)C(=O)Oc3cn(C4CCN(CCc5ccc(F)cc5)CC4)c4cc(CC(=O)NCCN5CCOCC5)ccc34)cn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCCN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.40
CD274 Q9NZQ7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTR3A P46098 1/20 0.39
EPHX2 P34913 1/20 0.39
CNR2 P34972 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KDM4E B2RXH2 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5871795 0.93 CYP2D6 (0.41) SMN1; SMN2TSHRHTR3AKDM4E
SCHEMBL5871332 0.88 RAB9A (0.39) HPGDKDM4E
SCHEMBL5870986 0.87 HTR2A (0.39)
SCHEMBL5871447 0.86 HTR2A (0.40)
SCHEMBL5871510 0.85 HTR2A (0.37)
SCHEMBL5871200 0.84 RAB9A (0.44) KMT2AMEN1EPHX2
SCHEMBL5871210 0.84 CCR3 (0.41) CNR2
SCHEMBL5871888 0.83 HTR2A (0.39)
SCHEMBL5871637 0.82 KMT2A (0.48) KMT2APOLBLMNACD274SMN1; SMN2
SCHEMBL5872132 0.82 KMT2A (0.43) KMT2APOLBSMN1; SMN2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020019531-A1 Indoles INMT, MUSK, MB KMT2A 1128/4885POLB 3419/4885LMNA 1318/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 KMT2A 1347/4885POLB 2860/4885LMNA 1288/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.